2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate
TL;DR: 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate (CAS 219868-89-0) is a chemical compound with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroprop-2-enyl 4-methylbenzenesulfonate
Also Known As: 2-chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate, 2-chloroprop-2-enyl 4-methylbenzenesulfonate, J1.048.578I, 2-chloroprop-2-en-1-yl 4-methylbenzenesulfonate, 4-Methylbenzenesulfonic acid 2-chloro-2-propenyl ester
| Molecular Formula | C10H11ClO3S |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.01175 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 219868-89-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=C)Cl |
| InChIKey | QQIVVQVZLLUQGY-UHFFFAOYSA-N |
Product Overview
2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate (CAS 219868-89-0), with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol. IUPAC: 2-chloroprop-2-enyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate
Property Insights of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate?
The CAS number of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate is 219868-89-0.
What is the molecular formula of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate is C10H11ClO3S.
What is the molecular weight of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate is 246.01 g/mol.
Where can I buy 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroprop-2-en-1-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.